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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

New analytical solutions to the two-phase water faucet problem

Here, the one-dimensional water faucet problem is one of the classical benchmark problems originally proposed by Ransom to study the two-fluid two-phase flow model. With certain simplifications, such as massless gas phase and no wall and interfacial frictions, analytical solutions had been previously obtained for the transient liquid velocity and void fraction distribution. The water faucet problem and its analytical solutions have been widely used for the purposes of code assessment, benchmark and numerical verifications. In our previous study, the Ransom’s solutions were used for the mesh convergence study of a high-resolution spatial discretization scheme. It was found that, at the steady state, an anticipated second-order spatial accuracy could not be achieved, when compared to the existing Ransom’s analytical solutions. A further investigation showed that the existing analytical solutions do not actually satisfy the commonly used two-fluid single-pressure two-phase flow equations. In this work, we present a new set of analytical solutions of the water faucet problem at the steady state, considering the gas phase density’s effect on pressure distribution. This new set of analytical solutions are used for mesh convergence studies, from which anticipated second-order of accuracy is achieved for the 2nd order spatial discretization scheme. In addition, extended Ransom’s transient solutions for the gas phase velocity and pressure are derived, with the assumption of decoupled liquid and gas pressures. Numerical verifications on the extended Ransom’s solutions are also presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Minimal implicit-solvent coarse-grained simulation of Pluronic block copolymers with ionic liquids

Pluronic block copolymers, composed of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO) in a triblock structure (PEO–PPO–PEO), are well known for their amphiphilic character and ability to self‐assemble into micelles in aqueous solution. The addition of ionic liquids (ILs) can further modulate the core–shell structures of these copolymers, influencing their stability, critical micellization temperature, and size. However, fully atomistic simulations often become prohibitively expensive due to the size and complexity of these systems. In this work, coarse‐grained simulations using a minimal implicit‐solvent model were performed to examine how two classes of ILs, namely, 1‐alkyl‐3‐methylimidazolium ([C n C 1 im]) and 1‐alkyl‐3‐methylpyrrolidinium ([C n C 1 pyrr]), change the micellization of Pluronic block copolymers in aqueous solution. The effects of IL concentration and alkyl group length were investigated, and the model greatly improved the efficiency of simulating large‐scale micelle systems. Furthermore, the numerical simulations are qualitatively compared with experimental investigations. Our results show that adding ILs expands the micelle core by embedding IL tails among the PPO blocks, thereby increasing overall micelle size. Less polar ILs generally induce more pronounced micellar growth. However, the effect of IL tail length on conformation and micellar packing is non‐monotonic. Up to moderate chain lengths (around C8–C10), the IL tails can extend sufficiently to increase local separation within the micelle; at longer tail lengths, enhanced hydrophobic clustering and steric hindrance cause the tails to bend or fold, capping further expansion. In addition, although block copolymer chains tend to pack more closely in the presence of longer‐tailed ILs, the random coil size of an individual polymer chain does not necessarily shrink. Meanwhile, these insights provide a deeper understanding of how Pluronic/IL systems interact, informing applications in drug delivery, cosmetics, food, and environmental engineering. Finally, our minimal implicit‐solvent model can be applied to larger systems and longer timescales, substantially reducing computational cost while reproducing key structural trends observed experimentally.

Atomistic simulations↗
DOE OSTI2019

Molecular insight into the lower critical solution temperature transition of aqueous alkyl phosphonium benzene sulfonates

Abstract Ionic liquid (IL)-water mixtures can exhibit a lower critical solution temperature (LCST) transition, but changes in long-range order and local molecular environment during this transition are not comprehensively understood. Here we show that in IL-H 2 O LCST mixtures, the IL forms loosely held aggregate structures that grow in size leading up to a critical temperature, whereas the aggregation of a fully miscible aqueous mixture, obtained by minor chemical modification of the anion, decreases with increasing temperature. Radial distribution functions from molecular dynamics simulations support the observation of aggregation phenomena in the IL-H 2 O mixtures. A local molecular structure of the ions is derived from multi-dimensional NMR experiments in conjunction with reported molecular dynamics simulations. In addition to considerable shifts of water’s hydrogen bonding network in the fully miscible phase, by NMR we observe the anion’s protons response to the intermolecular thermal environment and the intramolecular environment and find that the responses are determined by the sulfonate ionic functional group.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Component and efficient plate and frame absorber

An absorber for an absorption refrigeration system for a vertically mounted plate absorber has fins positioned over the plate to promote distribution of a fluid under flow as a nearly continuous thin film. The absorber has rows of fins that are evenly spaced with the fins occupying a portion of the active width of the plate with adjacent rows offset by the width of the plate. A combined evaporator-absorber module is constructed with the absorbing face of the absorber parallel with an evaporating surface of an evaporator where absorber solution and refrigerant fall as parallel falling sheets of liquid. The absorber is covered with a porous hydrophobic membrane to isolate the falling absorber solution from the falling liquid refrigerant.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1995

Two-phase flow research using the learjet apparatus

Low-gravity, gas-liquid flow research can be conducted aboard the NASA Lewis Learjet, the Lewis DC-9, or the Johnson Space Center KC-135. Air and water solutions serve as the test liquids in cylindrical test sections with an inner diameter of 1.27 cm and lengths up to 1.5 m. Superficial velocities range from 0.1 to 1.1 m/sec for liquids and from 0.1 to 25 m/sec for air. Flow rate, differential pressure, void fraction, film thickness, wall-shear stress, and acceleration data are measured and recorded throughout the 20 sec duration of the experiment. Flow is visualized by photographing at 400 frames with a high-speed, 16-mm camera.

Mcquillen, John B.↗
NASA NTRS1980

The 3-5 semiconductor solid solution single crystal growth

Techniques used for liquid and vapor phase epitaxy of gallium indium arsenide are described and the difficulties encountered are examined. Results show that the growth of bulk III-V solid solution single crystals in a low gravity environment will not have a major technological impact. The float zone technique in a low gravity environment is demonstrated using cadmium telluride. It is shown that this approach can result in the synthesis of a class of semiconductors that can not be grown in normal gravity because of growth problems rooted in the nature of their phase diagrams.

Gertner, E. R.↗
DOE OSTI2023

HCOO - aq Degradation in Droplets by OH aq in an Atmospheric Pressure Glow Discharge

Plasmas in contact with liquids can degrade organic molecules in solution, as reactive oxygen and nitrogen species produced in the plasma solvate into the liquid. Immersing small droplets (tens of microns in diameter) in the plasma can more rapidly activate the liquid compared to treating a large volume of liquid with a smaller surface-to-volume ratio. The interactions between a radio frequency glow discharge sustained in He/H 2 O and a water droplet containing formate (HCOO - aq ) immersed in and flowing through the plasma were modeled using a 0-dimensional global plasma chemistry model to investigate these activation processes. HCOO - aq interacts with OH aq , produced from solvation of OH from the gas phase. HCOO - aq concentrations were benchmarked with previously reported experimental measurements. The diameter of the droplet, initial HCOO - aq concentration, and gas flow rate affect only the HCOO - aq concentration and OH aq density, leaving the OH density in the gas phase unaffected. Power deposition and gas mixture (e.g., percentage of H 2 O) change both the gas and liquid phase chemistry. A general trend was observed – during the first portion of droplet exposure to the plasma, OH aq primarily consumes HCOO - aq . However, O2 - aq , a byproduct of HCOO - aq consumption, consumes OH aq once O2 - aq reaches a critically large density. Using HCOO - aq as a surrogate for OH aq sensitive contaminants, combinations of residence time, droplet diameter, water vapor density, and power will determine the optimum remediation strategy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Influence of aqueous ionic strength upon liquid:liquid interfacial structure and microsolvation

Ionic strength of an aqueous solution is often used to alter the efficacy of industrial processes that rely upon liquid:liquid phase boundaries (e.g. solvent extraction), however there is little understanding of how this condition may alter the properties of the phase boundary itself. The current work examines the interfacial structure and processes within the biphasic system (NaNO3)aq:n-hexane from 0 to 10 M NaNO3 at 298 K and 1 atm pressure. The extent of ion-pairing was quantified, alongside the primary solvation environments of both water and ions. Ion concentration was found to be depressed in the interfacial region relative to the bulk, and as such there is less likelihood of the formation of contact ion-pairs or ion-clusters at the interface. This in turn, leads to the interesting observation of more hydrogen bonds per water at the interface than in the bulk. At 10 M NaNO3 enough ions are present at the interface to severely perturb the mesoscopic interfacial properties of width and tension (the latter doubling in size relative to the neat water interface with n-hexane). Chemical theories, like the Kelvin equation and its analogs for liquid:vapor interfaces, would intuit that such a large change in interfacial tension should influence the microsolvation processes of the immiscible solvents (microsolvation being the rare event where water can penetrate n-hexane and n-hexane may penetrate and be fully solvated by water). However, there is no statistical difference between the concentrations of water and n-hexane in their respective co-solvents as a function of interfacial tension in these non-ideal solutions. Based upon these data, the ability of electrolyte concentration to alter transport across the interface does not appear to be related to the perturbation imparted by the electrolyte upon the interfacial properties themselves.

Chemistry↗
NASA NTRS1988

Densities of Pb-Sn alloys during solidification

Data for the densities and expansion coefficients of solid and liquid alloys of the Pb-Sn system are consolidated in this paper. More importantly, the data are analyzed with the purpose of expressing either the density of the solid or of the liquid as a function of its composition and temperature. In particular, the densities of the solid and of the liquid during dendritic solidification are derived. Finally, the solutal and thermal coefficients of volume expansion for the liquid are given as functions of temperature and composition.

Poirier, D. R.↗
DOE OSTI2016

Liquid secondary waste. Waste form formulation and qualification

The Hanford Site Effluent Treatment Facility (ETF) currently treats aqueous waste streams generated during Site cleanup activities. When the Hanford Tank Waste Treatment and Immobilization Plant (WTP) begins operations, a liquid secondary waste (LSW) stream from the WTP will need to be treated. The volume of effluent for treatment at the ETF will increase significantly. Washington River Protection Solutions is implementing a Secondary Liquid Waste Immobilization Technology Development Plan to address the technology needs for a waste form and solidification process to treat the increased volume of waste planned for disposal at the Integrated Disposal Facility IDF). Waste form testing to support this plan is composed of work in the near term to demonstrate the waste form will provide data as input to a performance assessment (PA) for Hanford’s IDF.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Modular–scale ethane to liquids via chemical looping oxidative dehydrogenation: Redox catalyst performance and process analysis

The difficulties in the liquefaction and transportation of ethane in shale gas has led to significant rejection, via reinjection or flaring, of this valuable hydrocarbon resource. Upgrading this low–value, isolated ethane into easily transportable liquid fuels is a promising solution to this supply glut. In this study, we present a modular system that can potentially be operated economically at geographically isolated gas–processing facilities. The modular ethane–to–liquids (M–ETL) system uses a chemical looping–oxidative dehydrogenation (CL–ODH) technology to efficiently convert ethane and natural gas liquids into olefins (primarily ethylene) via cyclic redox reactions of highly effective redox catalyst particles. The resulting olefins are then converted to gasoline and mid–distillate products via oligomerization. CL–ODH eliminates air separation and equilibrium limitations for olefin generation. It also simplifies the process scheme and reduces energy consumption. Here, we present experimental proof–of–concept data on CL–ODH conversion of ethane to ethylene. Using the CL–ODH performance data at 750°C, we show that a simple, single–pass configuration can be economically viable at distributed sites. We identify that economic factors such as the capital cost, price of ethane feed, and value of electricity byproduct have strong effects on the required selling price of the liquids. It is also noted that the economic viability of the M–ETL system is relatively insensitive to the liquid yield under a low ethane price scenario. In conclusion, the demand and value of electricity at distributed locations, on the other hand, can play an important role in the optimal process configuration and economics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Simplified thermochemistry of oxygen in lithium and sodium for liquid metal cooling systems

Plots of oxygen chemical potential against composition of lithium-oxygen solutions and sodium-oxygen solutions for a range of temperature were constructed. For each liquid metal two such plots were prepared. For one plot ideal solution behavior was assumed. For the other plot, existing solubility limit data for oxygen in the liquid metal were used to determine a first-order term for departure from ideality. The use of the plots in evaluating the oxygen gettering capability of refractory metals in liquid metal cooling systems is illustrated by a simple example involving lithium, oxygen, and hafnium.

Tower, L. K.↗
DOE OSTI2020

Enzymatic degradation of liquid droplets of DNA is modulated near the phase boundary

Significance Biomolecules, such as proteins or nucleic acids, can condense into liquid droplets whose biological or technological function depends on interactions with other solutes. We explore such interactions using a system of self-assembled DNA particles that forms liquid droplets which are degraded by an active solute, a restriction enzyme. We find that enzymes are able to penetrate the droplets when the liquid is poised near the phase boundary, enhancing the degradation rate and, in certain cases, causing internal bubbling. These results point to a complex interplay of phase stability and solute transport in liquid–liquid phase-separating macromolecular systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Stable colloids in molten inorganic salts

A colloidal solution is a homogeneous dispersion of particles or droplets of one phase (solute) in a second, typically liquid, phase (solvent). Colloids are ubiquitous in biological, chemical and technological processes1, 2, homogenizing highly dissimilar constituents. To stabilize a colloidal system against coalescence and aggregation, the surface of each solute particle is engineered to impose repulsive forces strong enough to overpower van der Waals attraction and keep the particles separated from each other2. Electrostatic stabilization3, 4 of charged solutes works well in solvents with high dielectric constants, such as water (dielectric constant of 80). In contrast, colloidal stabilization in solvents with low polarity, such as hexane (dielectric constant of about 2), can be achieved by decorating the surface of each particle of the solute with molecules (surfactants) containing flexible, brush-like chains2, 5. Here we report a class of colloidal systems in which solute particles (including metals, semiconductors and magnetic materials) form stable colloids in various molten inorganic salts. The stability of such colloids cannot be explained by traditional electrostatic and steric mechanisms. Screening of many solute–solvent combinations shows that colloidal stability can be traced to the strength of chemical bonding at the solute–solvent interface. Theoretical analysis and molecular dynamics modelling suggest that a layer of surface-bound solvent ions produces long-ranged charge-density oscillations in the molten salt around solute particles, preventing their aggregation. Colloids composed of inorganic particles in inorganic melts offer opportunities for introducing colloidal techniques to solid-state science and engineering applications.

Zhang, Hao↗
NASA NTRS1988

Water in the Martian regolith

The state of water in the Martian regolith is addressed. The water-ice phase composition, adsorption-desorption and evaporation phenomena, and brine compositions of six antarctic soils that are considered to be good terrestrial analogues of the Martian surface materials are examined. Experiments have shown that, for temperatures below freezing and relative humidities less than 100 percent, absorbed water and vapor are the only stable phases in the regolith. When the relative humidity reaches 100 percent, ice may form and coexist with the absorbed liquid phase. The absorbed water content declines with decreasing temperature; however, the presence of dissolved solutes can result in appreciable adsorbed liquid phase at temperatures as low as 210 K. Such properties may have a profound influence on martial geomorphology, physical and chemical weathering, and the exchange of water between the atmosphere and regolith.

Anderson, Duwayne M.↗